| Synonyms: | |
| Status: | Approved (1965) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | L01CA01 |
| UNII: | 5V9KLZ54CY |
Structure
| InChI Key | JXLYSJRDGCGARV-CFWMRBGOSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C46H58N4O9 |
| Molecular Weight | 810.99 |
| AlogP | 3.99 |
| Hydrogen Bond Acceptor | 12.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 154.1 |
| Molecular species | BASE |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 59.0 |
Experimental and Estimated Properties
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | 3.7 | - | EXP |
| Atmospheric OH Rate Constant | 6.44E-10 | cm3/molecule-sec | EST |
Pharmacology
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Skin Neoplasms | 3 | D012878 | ClinicalTrials |
| Lymphoma | 3 | D008223 | ClinicalTrials |
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Melanoma | 3 | D008545 | ClinicalTrials |
| Melanoma | 3 | D008545 | ClinicalTrials |
| Melanoma | 3 | D008545 | ClinicalTrials |
| Lymphoma, Large B-Cell, Diffuse | 3 | D016403 | ClinicalTrials |
| Histiocytosis, Langerhans-Cell | 3 | D006646 | ClinicalTrials |
| Lymphoma, T-Cell, Peripheral | 3 | D016411 | ClinicalTrials |
| Leukemia | 3 | D007938 | ClinicalTrials |
| Testicular Neoplasms | 3 | D013736 | ClinicalTrials |
| Hodgkin Disease | 3 | D006689 | ClinicalTrials |
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Urethral Neoplasms | 3 | D014523 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
| Hodgkin Disease | 3 | D006689 | ClinicalTrials |
| Lung Neoplasms | 3 | D008175 | ClinicalTrials |
| Glioma | 2 | D005910 | ClinicalTrials |
| Carcinoma, Renal Cell | 2 | D002292 | ClinicalTrials |
| Constriction, Pathologic | 2 | D003251 | ClinicalTrials |
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 2 | D054198 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 2 | D015470 | ClinicalTrials |
| Brain Neoplasms | 2 | D001932 | ClinicalTrials |
| Neurofibromatosis 1 | 2 | D009456 | ClinicalTrials |
| Paraganglioma | 2 | D010235 | ClinicalTrials |
| Central Nervous System Neoplasms | 1 | D016543 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 865-21-4 |
| ChEMBL | CHEMBL159 |
| DrugBank | DB00570 |
| DrugCentral | 2823 |
| EPA CompTox | DTXSID8021430 |
| FDA SRS | 5V9KLZ54CY |
| Guide to Pharmacology | 6851 |
| PDB | VLB |
| PubChem | 13342 |
| SureChEMBL | SCHEMBL3628 |
| ZINC | ZINC000085432544 |
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